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GNE-3511 5mg

CAT: 0628-A21457-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21457-5Size:5 mg
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CAS Number
1496581-76-0

Chemical Information

Gne-3511

GNE-3511 is an inhibitor.

CAS Number1496581-76-0
PubChem CID72547959
IUPAC Name2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
Molecular FormulaC23H26F2N6O
Molecular Weight440.5
XLogP3.2
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
C1CN(CCC1C2=CC(=NC(=C2)N3CCC(C3)(F)F)NC4=NC=CC(=C4)C#N)C5COC5
InChI
InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
InChIKey
RHFIAUKMKYHHFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gne-3511
CAS: 1496581-76-0
CID: 72547959
Formula: C23H26F2N6O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass440.21361580
Monoisotopic Mass440.21361580
Topological Polar Surface Area77.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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